4-(4-hydroxyphenyl)-2,2-dimethyl-4-oxobutanoic acid

C12H14O4 — CID 19884804

IUPAC4-(4-hydroxyphenyl)-2,2-dimethyl-4-oxobutanoic acid
SMILESCC(C)(CC(=O)c1ccc(O)cc1)C(=O)O
InChIInChI=1S/C12H14O4/c1-12(2,11(15)16)7-10(14)8-3-5-9(13)6-4-8/h3-6,13H,7H2,1-2H3,(H,15,16)
InChIKeyQUZSKACADDWSNJ-UHFFFAOYSA-N
MW222.24 g/mol
LogP2.08
Rot. Bonds4

About 4-(4-hydroxyphenyl)-2,2-dimethyl-4-oxobutanoic acid

4-(4-hydroxyphenyl)-2,2-dimethyl-4-oxobutanoic acid (PubChem CID 19884804) has the molecular formula C12H14O4 and a molecular weight of 222.24 g/mol. Its IUPAC name is 4-(4-hydroxyphenyl)-2,2-dimethyl-4-oxobutanoic acid.

Molecular Properties

Compound Name4-(4-hydroxyphenyl)-2,2-dimethyl-4-oxobutanoic acid
PubChem CID19884804
Molecular FormulaC12H14O4
Molecular Weight222.24 g/mol
Exact Mass222.09
IUPAC Name4-(4-hydroxyphenyl)-2,2-dimethyl-4-oxobutanoic acid
SMILESCC(C)(CC(=O)c1ccc(O)cc1)C(=O)O
InChIInChI=1S/C12H14O4/c1-12(2,11(15)16)7-10(14)8-3-5-9(13)6-4-8/h3-6,13H,7H2,1-2H3,(H,15,16)
InChIKeyQUZSKACADDWSNJ-UHFFFAOYSA-N
XLogP2.08
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-ethylphenyl)-2,2-dimethyl-4-oxobutanoic acid
CID 24727213
4-(4-acetamidophenyl)-2,2-dimethyl-4-oxobutanoic acid
CID 65298256
4-[4-(4-amino-3-methylphenyl)phenyl]-2,2-dimethyl-4-oxobutanoic acid
CID 23549316
4-hydroxy(11C)benzoic acid
CID 11275035
ethane;1-(4-hydroxyphenyl)propan-1-one
CID 144611752
4-(3-methoxy-4-methylphenyl)-2,2-dimethyl-4-oxobutanoic acid
CID 24727267
4-hydroxybenzoic acid;decahydrate
CID 140502755
4-hydroxybenzoic acid;tetrahydrate
CID 158154319
4-hydroxybenzoic acid;silver
CID 88784168
sodium;4-hydroxybenzoic acid;hydroxide
CID 161288203
formaldehyde;4-hydroxybenzoic acid
CID 68624082
ethene;bis(4-hydroxybenzoic acid)
CID 158613514

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxyphenyl)-2,2-dimethyl-4-oxobutanoic acid?
The IUPAC name of 4-(4-hydroxyphenyl)-2,2-dimethyl-4-oxobutanoic acid (CID 19884804) is 4-(4-hydroxyphenyl)-2,2-dimethyl-4-oxobutanoic acid.
What is the SMILES notation for 4-(4-hydroxyphenyl)-2,2-dimethyl-4-oxobutanoic acid?
The canonical SMILES for 4-(4-hydroxyphenyl)-2,2-dimethyl-4-oxobutanoic acid is CC(C)(CC(=O)c1ccc(O)cc1)C(=O)O.
What is the InChIKey of 4-(4-hydroxyphenyl)-2,2-dimethyl-4-oxobutanoic acid?
The InChIKey is QUZSKACADDWSNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O4/c1-12(2,11(15)16)7-10(14)8-3-5-9(13)6-4-8/h3-6,13H,7H2,1-2H3,(H,15,16).
What are the key properties of 4-(4-hydroxyphenyl)-2,2-dimethyl-4-oxobutanoic acid?
4-(4-hydroxyphenyl)-2,2-dimethyl-4-oxobutanoic acid has a molecular weight of 222.24 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxyphenyl)-2,2-dimethyl-4-oxobutanoic acid is sourced from PubChem (CID 19884804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).